SCHEMBL1045203

SCHEMBL1045203

CCCO[C](O)OCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.44
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1495182 0.79
SCHEMBL27519089 0.76
SCHEMBL5373233 0.74 HCAR2 (0.40) HCAR2LMNAALDH1A1HPGDESR1
SCHEMBL28046444 0.73 HCAR2 (0.52) HCAR2LMNAALDH1A1ESR1CHRM1
SCHEMBL332824 0.73
SCHEMBL9299726 0.73
SCHEMBL52299 0.73
Hydrogen Peroxide SCHEMBL28922349 0.73 ALDH1A1 (0.53) HCAR2LMNAALDH1A1ESR1CHRM1
Ammonia Solution, Strong SCHEMBL9331456 0.71 HCAR2 (0.39) HCAR2LMNAALDH1A1HPGDESR1
SCHEMBL6179801 0.71 ALDH1A1 (0.39) HCAR2LMNAALDH1A1HPGDESR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867456-B2 Honeycomb structure, method of manufacturing the structure, and exhaust emission control system NGK INSULATORS, LTD. (JP) 2011-01-11 US disclosed
US-20050095179-A1 Honeycomb structural body, method of manufacturing the structural body, and exhaust emission control system NGK INSULATORS, LTD (JP) 2005-05-05 US disclosed
EP-1484100-A1 HONEYCOMB STRUCTURE, METHOD OF MANUFACTURING THE STRUCTURE, AND EXHAUST EMISSION CONTROL SYSTEM NGK INSULATORS, LTD. (JP) 2004-12-08 EP disclosed